2-amino-5-[[[(1S,2R,3S)-2,3-dihydroxycyclopentyl]amino]methyl]-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one

C17H25N5O7 — CID 166174533

IUPAC2-amino-5-[[[(1S,2R,3S)-2,3-dihydroxycyclopentyl]amino]methyl]-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2c(c(CN[C@H]3CC[C@H](O)[C@@H]3O)cn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C17H25N5O7/c18-17-20-14-10(15(28)21-17)6(3-19-7-1-2-8(24)11(7)25)4-22(14)16-13(27)12(26)9(5-23)29-16/h4,7-9,11-13,16,19,23-27H,1-3,5H2,(H3,18,20,21,28)/t7-,8-,9+,11+,12+,13+,16+/m0/s1
InChIKeyHAOIVIURKDJHRM-AEZJAUAXSA-N
MW411.42 g/mol
LogP-3.11
Rot. Bonds5

About 2-amino-5-[[[(1S,2R,3S)-2,3-dihydroxycyclopentyl]amino]methyl]-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one

2-amino-5-[[[(1S,2R,3S)-2,3-dihydroxycyclopentyl]amino]methyl]-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 166174533) has the molecular formula C17H25N5O7 and a molecular weight of 411.42 g/mol. Its IUPAC name is 2-amino-5-[[[(1S,2R,3S)-2,3-dihydroxycyclopentyl]amino]methyl]-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-5-[[[(1S,2R,3S)-2,3-dihydroxycyclopentyl]amino]methyl]-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
PubChem CID166174533
Molecular FormulaC17H25N5O7
Molecular Weight411.42 g/mol
Exact Mass411.18
IUPAC Name2-amino-5-[[[(1S,2R,3S)-2,3-dihydroxycyclopentyl]amino]methyl]-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
SMILESNc1nc2c(c(CN[C@H]3CC[C@H](O)[C@@H]3O)cn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1
InChIInChI=1S/C17H25N5O7/c18-17-20-14-10(15(28)21-17)6(3-19-7-1-2-8(24)11(7)25)4-22(14)16-13(27)12(26)9(5-23)29-16/h4,7-9,11-13,16,19,23-27H,1-3,5H2,(H3,18,20,21,28)/t7-,8-,9+,11+,12+,13+,16+/m0/s1
InChIKeyHAOIVIURKDJHRM-AEZJAUAXSA-N
XLogP-3.11
TPSA199.11 Ų
H-Bond Donors8
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500411.42
LogP ≤ 5-3.11
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1011

Analyze 2-amino-5-[[[(1S,2R,3S)-2,3-dihydroxycyclopentyl]amino]methyl]-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-amino-5-[[[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-7-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 136723207
2-amino-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 136928160
2-amino-5-(aminomethyl)-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-(aminomethyl)-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)-3-methoxyoxolan-2-yl]-1H-purin-6-one
CID 158643483
methyl 2-amino-7-[3-amino-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidine-5-carboxylate
CID 162937831
(2R,3S,4R,6R,7R)-7-(2-amino-4-chloro-5-methylpyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxepane-3,4,6-triol;2-amino-5-methyl-7-[(2R,3R,5R,6S,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)oxepan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 157186743
2-amino-7-[(2S,3S,4S,5S)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 135506530
2-amino-7-[(2R,3S,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 144683644
bis(2-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1H-purin-6-one);carbon monoxide;ruthenium(2+);dichloride
CID 135466942
2-amino-9-[(2R,3R,4R)-3-hydroxy-4-(hydroxymethyl)oxetan-2-yl]-1H-purin-6-one
CID 135797824
N-[3-[2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-5-yl]prop-2-ynyl]-2,2,2-trifluoroacetamide;ethane
CID 142198643
2-amino-7-[(2R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-3H-pyrrolo[2,3-d]pyrimidin-4-one;[(2R,3R,5R)-5-(2-amino-5-methyl-4-oxo-3H-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-dihydroxyoxolan-2-yl]peroxy-(hydroxymethyl)phosphinous acid
CID 161225191
2-amino-5-[[[(4R,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1R,2R,3R,4R,5S)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-7-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[[[(1S,3S,4S,5R)-3,4-dihydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]amino]methyl]-3H-pyrrolo[2,3-d]pyrimidin-4-one;2-amino-5-[[(2,2-dimethyl-4,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl)amino]methyl]-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one
CID 160794949

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[[[(1S,2R,3S)-2,3-dihydroxycyclopentyl]amino]methyl]-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-amino-5-[[[(1S,2R,3S)-2,3-dihydroxycyclopentyl]amino]methyl]-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one (CID 166174533) is 2-amino-5-[[[(1S,2R,3S)-2,3-dihydroxycyclopentyl]amino]methyl]-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-amino-5-[[[(1S,2R,3S)-2,3-dihydroxycyclopentyl]amino]methyl]-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-amino-5-[[[(1S,2R,3S)-2,3-dihydroxycyclopentyl]amino]methyl]-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one is Nc1nc2c(c(CN[C@H]3CC[C@H](O)[C@@H]3O)cn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-[[[(1S,2R,3S)-2,3-dihydroxycyclopentyl]amino]methyl]-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
The InChIKey is HAOIVIURKDJHRM-AEZJAUAXSA-N. The full InChI is InChI=1S/C17H25N5O7/c18-17-20-14-10(15(28)21-17)6(3-19-7-1-2-8(24)11(7)25)4-22(14)16-13(27)12(26)9(5-23)29-16/h4,7-9,11-13,16,19,23-27H,1-3,5H2,(H3,18,20,21,28)/t7-,8-,9+,11+,12+,13+,16+/m0/s1.
What are the key properties of 2-amino-5-[[[(1S,2R,3S)-2,3-dihydroxycyclopentyl]amino]methyl]-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one?
2-amino-5-[[[(1S,2R,3S)-2,3-dihydroxycyclopentyl]amino]methyl]-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 411.42 g/mol, XLogP of -3.11, 5 rotatable bonds, 8 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[[[(1S,2R,3S)-2,3-dihydroxycyclopentyl]amino]methyl]-7-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-3H-pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 166174533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).